Geometry & MOs

Info

ID:	387433
PubChem CID:	134985355
Reduced:	BrPC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	490.141394
ΔH_f, kcal/mol:	-35.99
Dipole, Da:	2.36
IP(EA), eV:	-7.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CP1(CCP(CC1)(C)(C2=CC=CC=C2)Br)(C3=CC=CC=C3)Br

DOS

IR

Vibrations